Geometry & MOs

Info

ID:	443660
PubChem CID:	135259693
Reduced:	ClOC9H15 (1)
Stoich.:	ABC9D15 (1)
Weight, g/mol:	469.099537
ΔH_f, kcal/mol:	-47.68
Dipole, Da:	2.8
IP(EA), eV:	-9.64(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluorophenyl)-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]methanesulfonic acid

Drug info:

PubChemData

Smile

CCCCCCl.C1=COC=C1

DOS

IR

Vibrations